/* POV-Ray - 3.5 Scene Description File written by Ortep-3 for Windows (Version 2.02) Copyright (C) 1997-2008 Louis J. Farrugia Department of Chemistry, Glasgow University (all rights reserved) Input file : z:\home\andy\work\manuscripts\talks\pubcentric\img\nbstructures\sinb12\sinb12.pdb Creation date : Thursday, 1 March 2012 Creation time : 14:45:25 */ #version 3.5 ; #include "colors.inc" #include "textures.inc" #include "metals.inc" #declare Bond_Texture = texture { pigment {color Wheat } finish { Metal } } #declare Equator_Texture = texture { pigment {color White } finish { Shiny } } #declare Cutout_Texture = texture { pigment {color SteelBlue } finish { Shiny } } #declare Texture_Nb = texture { pigment {color Gray75 } finish { Shiny } } #declare Texture_Si = texture { pigment {color Orange } finish { Shiny } } #declare Texture_O = texture { pigment {color Red } finish { Shiny } } #declare Bond_Radius = 0.038; #declare Text_Colour = White; #declare Text_Scale = 0.21; #declare Text_Width = 0.01; #declare Text_Font = "cyrvetic.ttf"; #declare Bond_Truncate = 0; #declare View_Distance = 34.18; global_settings { assumed_gamma 2.2 ambient_light rgb < 1, 1, 1 > } camera { location < 0.0 , 0.0 , View_Distance > angle 20.0 up < 0.0 , 1.0 , 0.0 > right <-1.33, 0.0 , 0.0 > look_at < 0.0 , 0.0 , 0.0 > } background { color White } light_source { < 0.0, 0.0, 100.0 > color red 2.0 green 2.0 blue 2.0 } light_source { < 0.0, 100.0, 0.0 > color red 2.0 green 2.0 blue 2.0 } union { /* Thermal ellipsoid for atom # 1 O27 at -0.9153 0.2103 0.2190 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -0.8123, 1.1956, -3.8127 > } /* Thermal ellipsoid for atom # 2 O36 at -0.6085 0.6683 0.3492 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 1.8910, -2.0774, -2.9864 > } /* Thermal ellipsoid for atom # 3 O33 at -0.7271 0.4177 0.3037 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 0.6296, -0.3448, -3.0789 > } /* Thermal ellipsoid for atom # 4 O21 at -0.7042 0.3077 0.0480 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -1.4582, -0.6193, -2.7430 > } /* Thermal ellipsoid for atom # 5 Nb5 at -0.7409 0.2336 0.2330 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.7635, 0.7635, 0.7635 > } translate < -0.4858, 0.5811, -2.6586 > } /* Thermal ellipsoid for atom # 6 O15 at -0.5581 0.4458 -0.1502 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -2.2077, -2.5834, -2.2674 > } /* Thermal ellipsoid for atom # 7 O23 at -0.5457 0.5305 0.1187 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -0.0851, -2.2137, -2.2719 > } /* Thermal ellipsoid for atom # 8 O40 at -0.7168 0.1635 0.4178 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 0.5520, 1.5751, -2.1624 > } /* Thermal ellipsoid for atom # 9 Nb7 at -0.5479 0.5038 0.3195 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.7635, 0.7635, 0.7635 > } translate < 1.1852, -1.3522, -2.0814 > } /* Thermal ellipsoid for atom # 10 O25 at -0.6870 0.0576 0.1596 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -1.5329, 1.2463, -1.7924 > } /* Thermal ellipsoid for atom # 11 O48 at -0.7310 -0.0292 0.6353 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 1.3629, 3.5471, -1.5399 > } /* Thermal ellipsoid for atom # 12 Nb2 at -0.5205 0.3690 0.0040 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.7635, 0.7635, 0.7635 > } translate < -1.3885, -1.6940, -1.6757 > } /* Thermal ellipsoid for atom # 13 O45 at -0.5298 0.4313 0.4983 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 2.1689, -0.3463, -1.6235 > } /* Thermal ellipsoid for atom # 14 O50 at -0.5736 0.2029 0.6521 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 2.4007, 1.7134, -1.1383 > } /* Thermal ellipsoid for atom # 15 O24 at -0.6983 -0.2316 0.1574 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -2.5373, 3.0447, -0.9923 > } /* Thermal ellipsoid for atom # 16 O31 at -0.5059 0.2855 0.2303 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -0.1228, -0.4467, -1.1793 > } /* Thermal ellipsoid for atom # 17 Nb10 at -0.6096 0.0485 0.5312 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.7635, 0.7635, 0.7635 > } translate < 1.0258, 2.3507, -0.9943 > } /* Thermal ellipsoid for atom # 18 O17 at -0.4761 0.1833 -0.0563 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -2.3879, -0.8960, -0.8382 > } /* Thermal ellipsoid for atom # 19 O37 at -0.3547 0.5328 0.3170 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 1.4355, -2.1145, -0.8238 > } /* Thermal ellipsoid for atom # 20 O53 at -0.4159 0.4249 0.7592 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 4.0174, 0.2516, -0.6478 > } /* Thermal ellipsoid for atom # 21 O38 at -0.5978 -0.0783 0.3830 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -0.3991, 2.5823, -0.6180 > } /* Thermal ellipsoid for atom # 22 Nb4 at -0.5784 -0.1053 0.1856 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.7635, 0.7635, 0.7635 > } translate < -1.8133, 2.0103, -0.5230 > } /* Thermal ellipsoid for atom # 23 Nb12 at -0.4172 0.3189 0.6181 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.7635, 0.7635, 0.7635 > } translate < 2.6997, 0.4193, -0.4217 > } /* Thermal ellipsoid for atom # 24 O20 at -0.3265 0.4033 0.0181 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -1.0070, -2.4340, -0.4184 > } /* Thermal ellipsoid for atom # 25 O19 at -0.5210 -0.0833 -0.0045 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -2.9786, 1.0499, -0.3076 > } /* Thermal ellipsoid for atom # 26 O44 at -0.4121 0.1524 0.4443 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 0.9607, 0.8260, 0.0129 > } /* Thermal ellipsoid for atom # 27 Si13 at -0.3858 0.1841 0.2835 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Si } scale < 0.7635, 0.7635, 0.7635 > } translate < 0.0000, 0.0000, 0.0000 > } /* Thermal ellipsoid for atom # 28 O49 at -0.4568 -0.0522 0.6180 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 1.4074, 2.8111, 0.4317 > } /* Thermal ellipsoid for atom # 29 O47 at -0.2541 0.3914 0.5320 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 2.5036, -0.8077, 0.4417 > } /* Thermal ellipsoid for atom # 30 O14 at -0.3459 -0.0251 -0.2094 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -4.0189, -0.5341, 0.6093 > } /* Thermal ellipsoid for atom # 31 O29 at -0.3879 0.0428 0.1965 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -1.0710, 0.5724, 0.3615 > } /* Thermal ellipsoid for atom # 32 Nb1 at -0.3567 0.0295 -0.0406 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.7635, 0.7635, 0.7635 > } translate < -2.6978, -0.2554, 0.4725 > } /* Thermal ellipsoid for atom # 33 O42 at -0.0976 0.6114 0.4275 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 2.6765, -2.9821, 0.7986 > } /* Thermal ellipsoid for atom # 34 Nb9 at -0.1735 0.4640 0.3670 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.7635, 0.7635, 0.7635 > } translate < 1.7002, -2.0609, 0.6804 > } /* Thermal ellipsoid for atom # 35 O28 at -0.1173 0.4821 0.1774 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 0.5240, -2.9921, 0.8996 > } /* Thermal ellipsoid for atom # 36 O51 at -0.2986 0.1707 0.6889 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 2.7819, 1.2176, 0.9005 > } /* Thermal ellipsoid for atom # 37 O30 at -0.4232 -0.2242 0.2198 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -1.8481, 2.3940, 0.9426 > } /* Thermal ellipsoid for atom # 38 O35 at -0.2374 0.2556 0.2630 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 0.2327, -0.9514, 0.8046 > } /* Thermal ellipsoid for atom # 39 Nb3 at -0.1470 0.3262 0.0514 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.7635, 0.7635, 0.7635 > } translate < -0.8851, -2.3820, 1.0889 > } /* Thermal ellipsoid for atom # 40 O18 at -0.2079 0.1527 -0.0252 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -2.0459, -1.4009, 1.1448 > } /* Thermal ellipsoid for atom # 41 O16 at -0.0683 0.3918 -0.0924 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -1.5700, -3.5137, 1.3488 > } /* Thermal ellipsoid for atom # 42 Nb11 at -0.2709 0.0087 0.5776 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.7635, 0.7635, 0.7635 > } translate < 1.5021, 1.7446, 1.5178 > } /* Thermal ellipsoid for atom # 43 O22 at -0.2433 -0.1156 0.0359 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -2.5710, 0.5591, 1.7525 > } /* Thermal ellipsoid for atom # 44 O43 at -0.2757 -0.1160 0.4245 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 0.0365, 1.9960, 1.7689 > } /* Thermal ellipsoid for atom # 45 Nb6 at -0.2381 -0.1425 0.2316 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.7635, 0.7635, 0.7635 > } translate < -1.3294, 1.3822, 1.9921 > } /* Thermal ellipsoid for atom # 46 O41 at -0.0198 0.3414 0.4019 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 1.6562, -1.6476, 2.1472 > } /* Thermal ellipsoid for atom # 47 O46 at -0.1146 0.0986 0.4905 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 1.3522, 0.4279, 2.2802 > } /* Thermal ellipsoid for atom # 48 O52 at -0.1891 -0.0893 0.6994 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 2.0683, 2.5207, 2.4622 > } /* Thermal ellipsoid for atom # 49 O26 at 0.0006 0.2313 0.1424 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -0.4599, -1.9271, 2.4637 > } /* Thermal ellipsoid for atom # 50 Nb8 at -0.0290 0.1546 0.3241 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.7635, 0.7635, 0.7635 > } translate < 0.4875, -0.7433, 2.6034 > } /* Thermal ellipsoid for atom # 51 O34 at -0.0888 -0.0111 0.2433 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -0.6744, 0.1722, 2.6407 > } /* Thermal ellipsoid for atom # 52 O32 at -0.1436 -0.2906 0.2482 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < -1.6358, 2.0652, 3.1123 > } /* Thermal ellipsoid for atom # 53 O39 at 0.1422 0.1224 0.3591 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1732 0.1733 0.1733 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.7635, 0.7635, 0.7635 > } translate < 0.7657, -0.9359, 3.9172 > } /* Bond between O27 at -0.8123 1.1956 -3.8127 and Nb5 at -0.4858 0.5811 -2.6586 Distance = 1.765 A */ cylinder {< -0.8123, 1.1956, -3.8127 > < -0.4858, 0.5811, -2.6586 > Bond_Radius texture { Bond_Texture } } /* Bond between O36 at 1.8910 -2.0774 -2.9864 and Nb7 at 1.1852 -1.3522 -2.0814 Distance = 1.778 A */ cylinder {< 1.8910, -2.0774, -2.9864 > < 1.1852, -1.3522, -2.0814 > Bond_Radius texture { Bond_Texture } } /* Bond between O33 at 0.6296 -0.3448 -3.0789 and Nb5 at -0.4858 0.5811 -2.6586 Distance = 1.977 A */ cylinder {< 0.6296, -0.3448, -3.0789 > < -0.4858, 0.5811, -2.6586 > Bond_Radius texture { Bond_Texture } } /* Bond between O33 at 0.6296 -0.3448 -3.0789 and Nb7 at 1.1852 -1.3522 -2.0814 Distance = 1.994 A */ cylinder {< 0.6296, -0.3448, -3.0789 > < 1.1852, -1.3522, -2.0814 > Bond_Radius texture { Bond_Texture } } /* Bond between O21 at -1.4582 -0.6193 -2.7430 and Nb5 at -0.4858 0.5811 -2.6586 Distance = 2.026 A */ cylinder {< -1.4582, -0.6193, -2.7430 > < -0.4858, 0.5811, -2.6586 > Bond_Radius texture { Bond_Texture } } /* Bond between O21 at -1.4582 -0.6193 -2.7430 and Nb2 at -1.3885 -1.6940 -1.6757 Distance = 1.986 A */ cylinder {< -1.4582, -0.6193, -2.7430 > < -1.3885, -1.6940, -1.6757 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb5 at -0.4858 0.5811 -2.6586 and O40 at 0.5520 1.5751 -2.1624 Distance = 1.991 A */ cylinder {< -0.4858, 0.5811, -2.6586 > < 0.5520, 1.5751, -2.1624 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb5 at -0.4858 0.5811 -2.6586 and O25 at -1.5329 1.2463 -1.7924 Distance = 1.982 A */ cylinder {< -0.4858, 0.5811, -2.6586 > < -1.5329, 1.2463, -1.7924 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb5 at -0.4858 0.5811 -2.6586 and O31 at -0.1228 -0.4467 -1.1793 Distance = 2.407 A */ cylinder {< -0.4858, 0.5811, -2.6586 > < -0.1228, -0.4467, -1.1793 > Bond_Radius texture { Bond_Texture } } /* Bond between O15 at -2.2077 -2.5834 -2.2674 and Nb2 at -1.3885 -1.6940 -1.6757 Distance = 1.763 A */ cylinder {< -2.2077, -2.5834, -2.2674 > < -1.3885, -1.6940, -1.6757 > Bond_Radius texture { Bond_Texture } } /* Bond between O23 at -0.0851 -2.2137 -2.2719 and Nb7 at 1.1852 -1.3522 -2.0814 Distance = 2.026 A */ cylinder {< -0.0851, -2.2137, -2.2719 > < 1.1852, -1.3522, -2.0814 > Bond_Radius texture { Bond_Texture } } /* Bond between O23 at -0.0851 -2.2137 -2.2719 and Nb2 at -1.3885 -1.6940 -1.6757 Distance = 1.997 A */ cylinder {< -0.0851, -2.2137, -2.2719 > < -1.3885, -1.6940, -1.6757 > Bond_Radius texture { Bond_Texture } } /* Bond between O40 at 0.5520 1.5751 -2.1624 and Nb10 at 1.0258 2.3507 -0.9943 Distance = 1.938 A */ cylinder {< 0.5520, 1.5751, -2.1624 > < 1.0258, 2.3507, -0.9943 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb7 at 1.1852 -1.3522 -2.0814 and O45 at 2.1689 -0.3463 -1.6235 Distance = 1.938 A */ cylinder {< 1.1852, -1.3522, -2.0814 > < 2.1689, -0.3463, -1.6235 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb7 at 1.1852 -1.3522 -2.0814 and O31 at -0.1228 -0.4467 -1.1793 Distance = 2.395 A */ cylinder {< 1.1852, -1.3522, -2.0814 > < -0.1228, -0.4467, -1.1793 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb7 at 1.1852 -1.3522 -2.0814 and O37 at 1.4355 -2.1145 -0.8238 Distance = 1.954 A */ cylinder {< 1.1852, -1.3522, -2.0814 > < 1.4355, -2.1145, -0.8238 > Bond_Radius texture { Bond_Texture } } /* Bond between O25 at -1.5329 1.2463 -1.7924 and Nb4 at -1.8133 2.0103 -0.5230 Distance = 1.975 A */ cylinder {< -1.5329, 1.2463, -1.7924 > < -1.8133, 2.0103, -0.5230 > Bond_Radius texture { Bond_Texture } } /* Bond between O48 at 1.3629 3.5471 -1.5399 and Nb10 at 1.0258 2.3507 -0.9943 Distance = 1.778 A */ cylinder {< 1.3629, 3.5471, -1.5399 > < 1.0258, 2.3507, -0.9943 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb2 at -1.3885 -1.6940 -1.6757 and O31 at -0.1228 -0.4467 -1.1793 Distance = 2.417 A */ cylinder {< -1.3885, -1.6940, -1.6757 > < -0.1228, -0.4467, -1.1793 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb2 at -1.3885 -1.6940 -1.6757 and O17 at -2.3879 -0.8960 -0.8382 Distance = 2.002 A */ cylinder {< -1.3885, -1.6940, -1.6757 > < -2.3879, -0.8960, -0.8382 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb2 at -1.3885 -1.6940 -1.6757 and O20 at -1.0070 -2.4340 -0.4184 Distance = 1.975 A */ cylinder {< -1.3885, -1.6940, -1.6757 > < -1.0070, -2.4340, -0.4184 > Bond_Radius texture { Bond_Texture } } /* Bond between O45 at 2.1689 -0.3463 -1.6235 and Nb12 at 2.6997 0.4193 -0.4217 Distance = 1.992 A */ cylinder {< 2.1689, -0.3463, -1.6235 > < 2.6997, 0.4193, -0.4217 > Bond_Radius texture { Bond_Texture } } /* Bond between O50 at 2.4007 1.7134 -1.1383 and Nb10 at 1.0258 2.3507 -0.9943 Distance = 1.994 A */ cylinder {< 2.4007, 1.7134, -1.1383 > < 1.0258, 2.3507, -0.9943 > Bond_Radius texture { Bond_Texture } } /* Bond between O50 at 2.4007 1.7134 -1.1383 and Nb12 at 2.6997 0.4193 -0.4217 Distance = 1.977 A */ cylinder {< 2.4007, 1.7134, -1.1383 > < 2.6997, 0.4193, -0.4217 > Bond_Radius texture { Bond_Texture } } /* Bond between O24 at -2.5373 3.0447 -0.9923 and Nb4 at -1.8133 2.0103 -0.5230 Distance = 1.764 A */ cylinder {< -2.5373, 3.0447, -0.9923 > < -1.8133, 2.0103, -0.5230 > Bond_Radius texture { Bond_Texture } } /* Bond between O31 at -0.1228 -0.4467 -1.1793 and Si13 at 0.0000 0.0000 0.0000 Distance = 1.659 A */ cylinder {< -0.1228, -0.4467, -1.1793 > < 0.0000, 0.0000, 0.0000 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb10 at 1.0258 2.3507 -0.9943 and O38 at -0.3991 2.5823 -0.6180 Distance = 1.954 A */ cylinder {< 1.0258, 2.3507, -0.9943 > < -0.3991, 2.5823, -0.6180 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb10 at 1.0258 2.3507 -0.9943 and O44 at 0.9607 0.8260 0.0129 Distance = 2.395 A */ cylinder {< 1.0258, 2.3507, -0.9943 > < 0.9607, 0.8260, 0.0129 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb10 at 1.0258 2.3507 -0.9943 and O49 at 1.4074 2.8111 0.4317 Distance = 2.025 A */ cylinder {< 1.0258, 2.3507, -0.9943 > < 1.4074, 2.8111, 0.4317 > Bond_Radius texture { Bond_Texture } } /* Bond between O17 at -2.3879 -0.8960 -0.8382 and Nb1 at -2.6978 -0.2554 0.4725 Distance = 1.953 A */ cylinder {< -2.3879, -0.8960, -0.8382 > < -2.6978, -0.2554, 0.4725 > Bond_Radius texture { Bond_Texture } } /* Bond between O37 at 1.4355 -2.1145 -0.8238 and Nb9 at 1.7002 -2.0609 0.6804 Distance = 2.002 A */ cylinder {< 1.4355, -2.1145, -0.8238 > < 1.7002, -2.0609, 0.6804 > Bond_Radius texture { Bond_Texture } } /* Bond between O53 at 4.0174 0.2516 -0.6478 and Nb12 at 2.6997 0.4193 -0.4217 Distance = 1.765 A */ cylinder {< 4.0174, 0.2516, -0.6478 > < 2.6997, 0.4193, -0.4217 > Bond_Radius texture { Bond_Texture } } /* Bond between O38 at -0.3991 2.5823 -0.6180 and Nb4 at -1.8133 2.0103 -0.5230 Distance = 2.002 A */ cylinder {< -0.3991, 2.5823, -0.6180 > < -1.8133, 2.0103, -0.5230 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb4 at -1.8133 2.0103 -0.5230 and O19 at -2.9786 1.0499 -0.3076 Distance = 1.998 A */ cylinder {< -1.8133, 2.0103, -0.5230 > < -2.9786, 1.0499, -0.3076 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb4 at -1.8133 2.0103 -0.5230 and O29 at -1.0710 0.5724 0.3615 Distance = 2.415 A */ cylinder {< -1.8133, 2.0103, -0.5230 > < -1.0710, 0.5724, 0.3615 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb4 at -1.8133 2.0103 -0.5230 and O30 at -1.8481 2.3940 0.9426 Distance = 1.985 A */ cylinder {< -1.8133, 2.0103, -0.5230 > < -1.8481, 2.3940, 0.9426 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb12 at 2.6997 0.4193 -0.4217 and O44 at 0.9607 0.8260 0.0129 Distance = 2.407 A */ cylinder {< 2.6997, 0.4193, -0.4217 > < 0.9607, 0.8260, 0.0129 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb12 at 2.6997 0.4193 -0.4217 and O47 at 2.5036 -0.8077 0.4417 Distance = 1.982 A */ cylinder {< 2.6997, 0.4193, -0.4217 > < 2.5036, -0.8077, 0.4417 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb12 at 2.6997 0.4193 -0.4217 and O51 at 2.7819 1.2176 0.9005 Distance = 2.026 A */ cylinder {< 2.6997, 0.4193, -0.4217 > < 2.7819, 1.2176, 0.9005 > Bond_Radius texture { Bond_Texture } } /* Bond between O20 at -1.0070 -2.4340 -0.4184 and Nb3 at -0.8851 -2.3820 1.0889 Distance = 1.982 A */ cylinder {< -1.0070, -2.4340, -0.4184 > < -0.8851, -2.3820, 1.0889 > Bond_Radius texture { Bond_Texture } } /* Bond between O19 at -2.9786 1.0499 -0.3076 and Nb1 at -2.6978 -0.2554 0.4725 Distance = 2.025 A */ cylinder {< -2.9786, 1.0499, -0.3076 > < -2.6978, -0.2554, 0.4725 > Bond_Radius texture { Bond_Texture } } /* Bond between O44 at 0.9607 0.8260 0.0129 and Si13 at 0.0000 0.0000 0.0000 Distance = 1.660 A */ cylinder {< 0.9607, 0.8260, 0.0129 > < 0.0000, 0.0000, 0.0000 > Bond_Radius texture { Bond_Texture } } /* Bond between O44 at 0.9607 0.8260 0.0129 and Nb11 at 1.5021 1.7446 1.5178 Distance = 2.416 A */ cylinder {< 0.9607, 0.8260, 0.0129 > < 1.5021, 1.7446, 1.5178 > Bond_Radius texture { Bond_Texture } } /* Bond between Si13 at 0.0000 0.0000 0.0000 and O29 at -1.0710 0.5724 0.3615 Distance = 1.659 A */ cylinder {< 0.0000, 0.0000, 0.0000 > < -1.0710, 0.5724, 0.3615 > Bond_Radius texture { Bond_Texture } } /* Bond between Si13 at 0.0000 0.0000 0.0000 and O35 at 0.2327 -0.9514 0.8046 Distance = 1.660 A */ cylinder {< 0.0000, 0.0000, 0.0000 > < 0.2327, -0.9514, 0.8046 > Bond_Radius texture { Bond_Texture } } /* Bond between O49 at 1.4074 2.8111 0.4317 and Nb11 at 1.5021 1.7446 1.5178 Distance = 1.997 A */ cylinder {< 1.4074, 2.8111, 0.4317 > < 1.5021, 1.7446, 1.5178 > Bond_Radius texture { Bond_Texture } } /* Bond between O47 at 2.5036 -0.8077 0.4417 and Nb9 at 1.7002 -2.0609 0.6804 Distance = 1.975 A */ cylinder {< 2.5036, -0.8077, 0.4417 > < 1.7002, -2.0609, 0.6804 > Bond_Radius texture { Bond_Texture } } /* Bond between O14 at -4.0189 -0.5341 0.6093 and Nb1 at -2.6978 -0.2554 0.4725 Distance = 1.777 A */ cylinder {< -4.0189, -0.5341, 0.6093 > < -2.6978, -0.2554, 0.4725 > Bond_Radius texture { Bond_Texture } } /* Bond between O29 at -1.0710 0.5724 0.3615 and Nb1 at -2.6978 -0.2554 0.4725 Distance = 2.395 A */ cylinder {< -1.0710, 0.5724, 0.3615 > < -2.6978, -0.2554, 0.4725 > Bond_Radius texture { Bond_Texture } } /* Bond between O29 at -1.0710 0.5724 0.3615 and Nb6 at -1.3294 1.3822 1.9921 Distance = 2.408 A */ cylinder {< -1.0710, 0.5724, 0.3615 > < -1.3294, 1.3822, 1.9921 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb1 at -2.6978 -0.2554 0.4725 and O18 at -2.0459 -1.4009 1.1448 Distance = 1.938 A */ cylinder {< -2.6978, -0.2554, 0.4725 > < -2.0459, -1.4009, 1.1448 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb1 at -2.6978 -0.2554 0.4725 and O22 at -2.5710 0.5591 1.7525 Distance = 1.994 A */ cylinder {< -2.6978, -0.2554, 0.4725 > < -2.5710, 0.5591, 1.7525 > Bond_Radius texture { Bond_Texture } } /* Bond between O42 at 2.6765 -2.9821 0.7986 and Nb9 at 1.7002 -2.0609 0.6804 Distance = 1.765 A */ cylinder {< 2.6765, -2.9821, 0.7986 > < 1.7002, -2.0609, 0.6804 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb9 at 1.7002 -2.0609 0.6804 and O28 at 0.5240 -2.9921 0.8996 Distance = 1.986 A */ cylinder {< 1.7002, -2.0609, 0.6804 > < 0.5240, -2.9921, 0.8996 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb9 at 1.7002 -2.0609 0.6804 and O35 at 0.2327 -0.9514 0.8046 Distance = 2.415 A */ cylinder {< 1.7002, -2.0609, 0.6804 > < 0.2327, -0.9514, 0.8046 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb9 at 1.7002 -2.0609 0.6804 and O41 at 1.6562 -1.6476 2.1472 Distance = 1.997 A */ cylinder {< 1.7002, -2.0609, 0.6804 > < 1.6562, -1.6476, 2.1472 > Bond_Radius texture { Bond_Texture } } /* Bond between O28 at 0.5240 -2.9921 0.8996 and Nb3 at -0.8851 -2.3820 1.0889 Distance = 2.026 A */ cylinder {< 0.5240, -2.9921, 0.8996 > < -0.8851, -2.3820, 1.0889 > Bond_Radius texture { Bond_Texture } } /* Bond between O51 at 2.7819 1.2176 0.9005 and Nb11 at 1.5021 1.7446 1.5178 Distance = 1.985 A */ cylinder {< 2.7819, 1.2176, 0.9005 > < 1.5021, 1.7446, 1.5178 > Bond_Radius texture { Bond_Texture } } /* Bond between O30 at -1.8481 2.3940 0.9426 and Nb6 at -1.3294 1.3822 1.9921 Distance = 2.027 A */ cylinder {< -1.8481, 2.3940, 0.9426 > < -1.3294, 1.3822, 1.9921 > Bond_Radius texture { Bond_Texture } } /* Bond between O35 at 0.2327 -0.9514 0.8046 and Nb3 at -0.8851 -2.3820 1.0889 Distance = 2.407 A */ cylinder {< 0.2327, -0.9514, 0.8046 > < -0.8851, -2.3820, 1.0889 > Bond_Radius texture { Bond_Texture } } /* Bond between O35 at 0.2327 -0.9514 0.8046 and Nb8 at 0.4875 -0.7433 2.6034 Distance = 2.395 A */ cylinder {< 0.2327, -0.9514, 0.8046 > < 0.4875, -0.7433, 2.6034 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb3 at -0.8851 -2.3820 1.0889 and O18 at -2.0459 -1.4009 1.1448 Distance = 1.992 A */ cylinder {< -0.8851, -2.3820, 1.0889 > < -2.0459, -1.4009, 1.1448 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb3 at -0.8851 -2.3820 1.0889 and O16 at -1.5700 -3.5137 1.3488 Distance = 1.766 A */ cylinder {< -0.8851, -2.3820, 1.0889 > < -1.5700, -3.5137, 1.3488 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb3 at -0.8851 -2.3820 1.0889 and O26 at -0.4599 -1.9271 2.4637 Distance = 1.977 A */ cylinder {< -0.8851, -2.3820, 1.0889 > < -0.4599, -1.9271, 2.4637 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb11 at 1.5021 1.7446 1.5178 and O43 at 0.0365 1.9960 1.7689 Distance = 1.975 A */ cylinder {< 1.5021, 1.7446, 1.5178 > < 0.0365, 1.9960, 1.7689 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb11 at 1.5021 1.7446 1.5178 and O46 at 1.3522 0.4279 2.2802 Distance = 2.002 A */ cylinder {< 1.5021, 1.7446, 1.5178 > < 1.3522, 0.4279, 2.2802 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb11 at 1.5021 1.7446 1.5178 and O52 at 2.0683 2.5207 2.4622 Distance = 1.764 A */ cylinder {< 1.5021, 1.7446, 1.5178 > < 2.0683, 2.5207, 2.4622 > Bond_Radius texture { Bond_Texture } } /* Bond between O22 at -2.5710 0.5591 1.7525 and Nb6 at -1.3294 1.3822 1.9921 Distance = 1.976 A */ cylinder {< -2.5710, 0.5591, 1.7525 > < -1.3294, 1.3822, 1.9921 > Bond_Radius texture { Bond_Texture } } /* Bond between O43 at 0.0365 1.9960 1.7689 and Nb6 at -1.3294 1.3822 1.9921 Distance = 1.983 A */ cylinder {< 0.0365, 1.9960, 1.7689 > < -1.3294, 1.3822, 1.9921 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb6 at -1.3294 1.3822 1.9921 and O34 at -0.6744 0.1722 2.6407 Distance = 1.992 A */ cylinder {< -1.3294, 1.3822, 1.9921 > < -0.6744, 0.1722, 2.6407 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb6 at -1.3294 1.3822 1.9921 and O32 at -1.6358 2.0652 3.1123 Distance = 1.765 A */ cylinder {< -1.3294, 1.3822, 1.9921 > < -1.6358, 2.0652, 3.1123 > Bond_Radius texture { Bond_Texture } } /* Bond between O41 at 1.6562 -1.6476 2.1472 and Nb8 at 0.4875 -0.7433 2.6034 Distance = 2.026 A */ cylinder {< 1.6562, -1.6476, 2.1472 > < 0.4875, -0.7433, 2.6034 > Bond_Radius texture { Bond_Texture } } /* Bond between O46 at 1.3522 0.4279 2.2802 and Nb8 at 0.4875 -0.7433 2.6034 Distance = 1.953 A */ cylinder {< 1.3522, 0.4279, 2.2802 > < 0.4875, -0.7433, 2.6034 > Bond_Radius texture { Bond_Texture } } /* Bond between O26 at -0.4599 -1.9271 2.4637 and Nb8 at 0.4875 -0.7433 2.6034 Distance = 1.994 A */ cylinder {< -0.4599, -1.9271, 2.4637 > < 0.4875, -0.7433, 2.6034 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb8 at 0.4875 -0.7433 2.6034 and O34 at -0.6744 0.1722 2.6407 Distance = 1.938 A */ cylinder {< 0.4875, -0.7433, 2.6034 > < -0.6744, 0.1722, 2.6407 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb8 at 0.4875 -0.7433 2.6034 and O39 at 0.7657 -0.9359 3.9172 Distance = 1.777 A */ cylinder {< 0.4875, -0.7433, 2.6034 > < 0.7657, -0.9359, 3.9172 > Bond_Radius texture { Bond_Texture } } rotate < 0.0000, 0.0000, 0.0000 > translate < 0.0000, 0.0000, 0.0000 > }